Geometry & MOs

Info

ID:	83179
PubChem CID:	49857249
Reduced:	N2F3O4C16H17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	364.199822
ΔH_f, kcal/mol:	-311.98
Dipole, Da:	2.91
IP(EA), eV:	-9.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[7-(ethoxycarbonylamino)-6-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)N[C@H]1CCC2=C(CC1=O)C=CC=C2NC(=O)C(F)(F)F

DOS

IR

Vibrations